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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H65N13O10.C2H4O2
Molecular Weight 972.0986
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SARALASIN ACETATE ANHYDROUS

SMILES

CC(O)=O.CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C)C(O)=O

InChI

InChIKey=JFPFCTNAFOZCDA-LYHTUURTSA-N
InChI=1S/C42H65N13O10.C2H4O2/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65;1-2(3)4/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47);1H3,(H,3,4)/t24-,28-,29-,30-,31-,33-,34-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SARALASIN ACETATE ANHYDROUS
Common Name English
Code System Code Type Description
FDA UNII
U603K01682
Created by admin on Fri Dec 15 16:22:35 UTC 2023 , Edited by admin on Fri Dec 15 16:22:35 UTC 2023
PRIMARY
PUBCHEM
16051934
Created by admin on Fri Dec 15 16:22:35 UTC 2023 , Edited by admin on Fri Dec 15 16:22:35 UTC 2023
PRIMARY
CAS
54194-01-3
Created by admin on Fri Dec 15 16:22:35 UTC 2023 , Edited by admin on Fri Dec 15 16:22:35 UTC 2023
PRIMARY